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Compound Detail

CHEMBL223232

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Cc1cc(CO)c(O)c(-c2cc(C)cc(CO)c2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223232
Phase Preclinical
Structure Type MOL
InChI Key HFZBSXANKNBBFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
2.37
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18O4
MW 274.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
17328534 10.1021/jm0611713 Human immunodeficiency virus 2 2
17328534 10.1021/jm0611713 Cholinesterase 1
17328534 10.1021/jm0611713 Human immunodeficiency virus 1 1
17328534 10.1021/jm0611713 ADMET 1

Data from ChEMBL 36 via Core Engine